(2-chloro-3-fluorophenyl)-pyridin-3-ylmethanamine

C12H10ClFN2 — CID 115799417

IUPAC(2-chloro-3-fluorophenyl)-pyridin-3-ylmethanamine
SMILESNC(c1cccnc1)c1cccc(F)c1Cl
InChIInChI=1S/C12H10ClFN2/c13-11-9(4-1-5-10(11)14)12(15)8-3-2-6-16-7-8/h1-7,12H,15H2
InChIKeyHXHFKAVFGYMRRS-UHFFFAOYSA-N
MW236.68 g/mol
LogP2.92
Rot. Bonds2

About (2-chloro-3-fluorophenyl)-pyridin-3-ylmethanamine

(2-chloro-3-fluorophenyl)-pyridin-3-ylmethanamine (PubChem CID 115799417) has the molecular formula C12H10ClFN2 and a molecular weight of 236.68 g/mol. Its IUPAC name is (2-chloro-3-fluorophenyl)-pyridin-3-ylmethanamine.

Molecular Properties

Compound Name(2-chloro-3-fluorophenyl)-pyridin-3-ylmethanamine
PubChem CID115799417
Molecular FormulaC12H10ClFN2
Molecular Weight236.68 g/mol
Exact Mass236.05
IUPAC Name(2-chloro-3-fluorophenyl)-pyridin-3-ylmethanamine
SMILESNC(c1cccnc1)c1cccc(F)c1Cl
InChIInChI=1S/C12H10ClFN2/c13-11-9(4-1-5-10(11)14)12(15)8-3-2-6-16-7-8/h1-7,12H,15H2
InChIKeyHXHFKAVFGYMRRS-UHFFFAOYSA-N
XLogP2.92
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.68
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-chloro-3-fluorophenyl)-pyridin-3-ylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-chloro-2-fluorophenyl)-pyridin-3-ylmethanamine
CID 114885982
(2-chloro-3-fluorophenyl)-(5-methyl-3-pyridinyl)methanamine
CID 105023063
(2-chloro-3-fluorophenyl)-(4-chlorophenyl)methanamine
CID 81454943
(2-chloro-3-fluorophenyl)-(3-fluorophenyl)methanamine
CID 115791995
(4-bromo-2-fluorophenyl)-pyridin-3-ylmethanamine
CID 114906176
(4-bromophenyl)-(2-chloro-3-fluorophenyl)methanamine
CID 81454944
(2-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 81454139
(2,6-dichlorophenyl)-pyridin-3-ylmethanamine
CID 115799088
(2-bromo-4-fluorophenyl)-pyridin-3-ylmethanamine
CID 115799700
isoquinolin-8-yl(pyridin-3-yl)methanamine
CID 103137345
(2-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine
CID 115801340
(2-chloro-3-fluorophenyl)-(3-propylphenyl)methanamine
CID 105050408

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-fluorophenyl)-pyridin-3-ylmethanamine?
The IUPAC name of (2-chloro-3-fluorophenyl)-pyridin-3-ylmethanamine (CID 115799417) is (2-chloro-3-fluorophenyl)-pyridin-3-ylmethanamine.
What is the SMILES notation for (2-chloro-3-fluorophenyl)-pyridin-3-ylmethanamine?
The canonical SMILES for (2-chloro-3-fluorophenyl)-pyridin-3-ylmethanamine is NC(c1cccnc1)c1cccc(F)c1Cl.
What is the InChIKey of (2-chloro-3-fluorophenyl)-pyridin-3-ylmethanamine?
The InChIKey is HXHFKAVFGYMRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2/c13-11-9(4-1-5-10(11)14)12(15)8-3-2-6-16-7-8/h1-7,12H,15H2.
What are the key properties of (2-chloro-3-fluorophenyl)-pyridin-3-ylmethanamine?
(2-chloro-3-fluorophenyl)-pyridin-3-ylmethanamine has a molecular weight of 236.68 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-fluorophenyl)-pyridin-3-ylmethanamine is sourced from PubChem (CID 115799417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).